N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide

C21H18FNO3S — CID 2814380

IUPACN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C21H18FNO3S/c1-3-17-12-18(19(24)13-6-10-16(26-2)11-7-13)21(27-17)23-20(25)14-4-8-15(22)9-5-14/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeySNLWCEPCELOJHB-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.94
Rot. Bonds6

About N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide (PubChem CID 2814380) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide
PubChem CID2814380
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C21H18FNO3S/c1-3-17-12-18(19(24)13-6-10-16(26-2)11-7-13)21(27-17)23-20(25)14-4-8-15(22)9-5-14/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeySNLWCEPCELOJHB-UHFFFAOYSA-N
XLogP4.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide (CID 2814380) is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide?
The InChIKey is SNLWCEPCELOJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-3-17-12-18(19(24)13-6-10-16(26-2)11-7-13)21(27-17)23-20(25)14-4-8-15(22)9-5-14/h4-12H,3H2,1-2H3,(H,23,25).
What are the key properties of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide?
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide has a molecular weight of 383.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 2814380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).